3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

C25H27N3O4 — CID 4059850

IUPAC3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCCOc1cc(C(=O)NN=C(c2ccccc2)c2ccccn2)cc(OCC)c1OCC
InChIInChI=1S/C25H27N3O4/c1-4-30-21-16-19(17-22(31-5-2)24(21)32-6-3)25(29)28-27-23(18-12-8-7-9-13-18)20-14-10-11-15-26-20/h7-17H,4-6H2,1-3H3,(H,28,29)
InChIKeyZWPMAFVIDVNJDP-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.46
Rot. Bonds10

About 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (PubChem CID 4059850) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
PubChem CID4059850
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCCOc1cc(C(=O)NN=C(c2ccccc2)c2ccccn2)cc(OCC)c1OCC
InChIInChI=1S/C25H27N3O4/c1-4-30-21-16-19(17-22(31-5-2)24(21)32-6-3)25(29)28-27-23(18-12-8-7-9-13-18)20-14-10-11-15-26-20/h7-17H,4-6H2,1-3H3,(H,28,29)
InChIKeyZWPMAFVIDVNJDP-UHFFFAOYSA-N
XLogP4.46
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6064728
3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
CID 6036284
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6263348
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4536302

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (CID 4059850) is 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is CCOc1cc(C(=O)NN=C(c2ccccc2)c2ccccn2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The InChIKey is ZWPMAFVIDVNJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-30-21-16-19(17-22(31-5-2)24(21)32-6-3)25(29)28-27-23(18-12-8-7-9-13-18)20-14-10-11-15-26-20/h7-17H,4-6H2,1-3H3,(H,28,29).
What are the key properties of 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is sourced from PubChem (CID 4059850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).